5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine

C12H14ClN3O — CID 66015459

IUPAC5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(Oc2ccccc2Cl)c1N
InChIInChI=1S/C12H14ClN3O/c1-3-9-11(14)12(16(2)15-9)17-10-7-5-4-6-8(10)13/h4-7H,3,14H2,1-2H3
InChIKeyUJPDULIWHGVNNX-UHFFFAOYSA-N
MW251.72 g/mol
LogP3.01
Rot. Bonds3

About 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine

5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine (PubChem CID 66015459) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
PubChem CID66015459
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine
SMILESCCc1nn(C)c(Oc2ccccc2Cl)c1N
InChIInChI=1S/C12H14ClN3O/c1-3-9-11(14)12(16(2)15-9)17-10-7-5-4-6-8(10)13/h4-7H,3,14H2,1-2H3
InChIKeyUJPDULIWHGVNNX-UHFFFAOYSA-N
XLogP3.01
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The IUPAC name of 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine (CID 66015459) is 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine.
What is the SMILES notation for 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The canonical SMILES for 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine is CCc1nn(C)c(Oc2ccccc2Cl)c1N.
What is the InChIKey of 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
The InChIKey is UJPDULIWHGVNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-9-11(14)12(16(2)15-9)17-10-7-5-4-6-8(10)13/h4-7H,3,14H2,1-2H3.
What are the key properties of 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine?
5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine has a molecular weight of 251.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenoxy)-3-ethyl-1-methylpyrazol-4-amine is sourced from PubChem (CID 66015459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).